Information card for entry 4334849

Structure parameters

• Formula: C47 H45 Cl3 F6 N P3 Pt S
• Calculated formula: C47 H45 Cl3 F6 N P3 Pt S
• SMILES: [Pt]1(Cl)([S](c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CCN(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: General Strategy for the Synthesis of Rigid Weak-Link Approach Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles
• Authors of publication: Robert D. Kennedy; Charles W. Machan; C. Michael McGuirk; Mari S. Rosen; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5876 - 5888
• a: 33.119 ± 0.002 Å
• b: 14.5771 ± 0.0009 Å
• c: 19.2336 ± 0.0011 Å
• α: 90°
• β: 93.89 ± 0.003°
• γ: 90°
• Cell volume: 9264.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No